sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
Cavities are compared using Shaper.
For more information, please see the following publication:
Desaphy J. et al. Comparison and Druggability Prediction of protein-Ligand Binding sites from pharmacophore-annotated cavity shapes J. Chem. Inf. Model., 2012, 52(8), pp2287-2299
| PDB ID | HET | Uniprot Name | EC Number |
|---|---|---|---|
| 3jyo | NAD | Quinate/shikimate dehydrogenase (NAD(+)) |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3jyo | NAD | Quinate/shikimate dehydrogenase (NAD(+)) | / | 1.000 | |
| 3jyp | NAD | Quinate/shikimate dehydrogenase (NAD(+)) | / | 0.729 | |
| 3jyq | NAD | Quinate/shikimate dehydrogenase (NAD(+)) | / | 0.593 | |
| 1o9b | NAI | Quinate/shikimate dehydrogenase | / | 0.512 | |
| 1vi2 | NAD | Quinate/shikimate dehydrogenase | / | 0.506 | |
| 3t4e | NAD | Quinate/shikimate dehydrogenase | / | 0.500 | |
| 2ev9 | NAP | Shikimate dehydrogenase (NADP(+)) | / | 0.460 | |
| 4dc0 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.460 | |
| 3toz | NAD | Shikimate dehydrogenase (NADP(+)) | / | 0.450 | |
| 1npd | NAD | Quinate/shikimate dehydrogenase | / | 0.447 | |
| 2hk9 | NAP | Shikimate dehydrogenase (NADP(+)) | / | 0.447 | |
| 2cy0 | NAP | Shikimate dehydrogenase (NADP(+)) | / | 0.446 | |
| 3dhe | AND | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.446 | |
| 1iol | EST | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.443 | |
| 2oz5 | 7XY | Uncharacterized protein | / | 0.442 | |
| 3gwf | FAD | Cyclohexanone monooxygenase | / | 0.442 | |
| 1nvt | NAP | Shikimate dehydrogenase (NADP(+)) | / | 0.441 |